Geometry & MOs

Info

ID:	427796
PubChem CID:	135163082
Reduced:	O3F6H16C20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	400.167459
ΔH_f, kcal/mol:	-377.62
Dipole, Da:	3.28
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-methyl-4-(4-propanoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations